2-[4-[2-(4-ethoxyphenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-ethoxyphenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[2-(4-ethoxyphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(2-p-phenetylacetyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H26FN3O3/c1-2-29-20-8-6-17(7-9-20)14-22(28)26-12-10-25(11-13-26)16-21(27)24-19-5-3-4-18(23)15-19/h3-9,15H,2,10-14,16H2,1H3,(H,24,27)/p+1